(4-nitrophenyl)methyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-benzoate

Systemtic Name: (4-nitrophenyl)methyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-benzoate Openeye Name: (4-nitrophenyl)methyl 3-(1,3-dioxoisoindolin-2-yl)-4-methyl-benzoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)-4-methylbenzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(1,3-dioxoisoindol-2-yl)-4-methylbenzoate Traditional Name: 4-methyl-3-phthalimido-benzoic acid (4-nitrobenzyl) ester Formula: C23H16N2O6 MolecularWeight: 416.38294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H16N2O6/c1-14-6-9-16(23(28)31-13-15-7-10-17(11-8-15)25(29)30)12-20(14)24-21(26)18-4-2-3-5-19(18)22(24)27/h2-12H,13H2,1H3